SCHEMBL29394557

SCHEMBL29394557

CCCCc1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.52
▸ ALB P02768 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ GPR119 Q8TDV5 3/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ PSMB5 P28074 1/20 0.42
▸ ESR1 P03372 4/20 0.42
▸ ESR2 Q92731 4/20 0.42
▸ EIF4A1 P60842 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ RAB9A P51151 4/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28903550 0.86 TTR (0.57) TTRALBMAOACNR1DRD1
SCHEMBL28267364 0.84 PSMB5 (0.56) GPR119MEN1KMT2APSMB5KDM4E
SCHEMBL28831076 0.79 PSMB5 (0.51) GPR119MEN1KMT2APSMB5KDM4E
SCHEMBL29819601 0.79 PSMB5 (0.51) GPR119MEN1KMT2APSMB5KDM4E
SCHEMBL17225154 0.79 ESR1 (0.47) GPR119MEN1KMT2AESR1ESR2
SCHEMBL8995192 0.78 GPR119 (0.43) GPR119MEN1KMT2APSMB5ESR1
SCHEMBL24205728 0.77 NPC1 (0.52) GPR119MEN1KMT2AKDM4ENPC1
SCHEMBL12332787 0.76 NPC1 (0.51) GPR119MEN1KMT2AKDM4ENPC1
SCHEMBL22946076 0.76 SMN1; SMN2 (0.68) TTRALBMAOACNR1DRD1
SCHEMBL2914500 0.76 PSMB5 (0.46) MEN1KMT2APSMB5KDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057662-A Synthetic method of Tafamidis 湖南第一师范学院 2022-02-18 — — CN disclosed
Send feedback